SCHEMBL98601

SCHEMBL98601

CCCN([C]=O)N1CCCCC1CC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
KMT2A Q03164 2/20 0.32
ADH1A P07327 2/20 0.32
ADH1C P00326 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL99816 0.87 KMT2A (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL98388 0.82 ADH1A (0.33) KMT2AADH1AADH1CTSHR
SCHEMBL27461657 0.71 CHRNB2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7689470 0.71 HRH3 (0.30)
SCHEMBL4228766 0.71 KMT2A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27479767 0.70 KMT2A (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL99125 0.68 GAA (0.31) ALDH1A1
SCHEMBL3700579 0.67 CHRM2 (0.32)
SCHEMBL4158145 0.66 KMT2A (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21477692 0.63

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426123-B1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEM IND LTD (JP) 2014-08-06 EP disclosed
US-8546586-B2 Pyrazole-based cyanine dye containing quaternary ammonium cation WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2426123-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION Wako Pure Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION SLC43A1, HCN4, SLC7A5 PSEN1 4770/4885PSEN2 4859/4885APH1B 4525/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.